Chemical ID: 6039199

CCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnccn2
Chemical ID:
6039199
Name [?]:
N-propyl-N-[2-(3-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C17H21N5O2/c1-2-9-22(17(24)15-13-19-7-8-20-15)10-5-16(23)21-12-14-4-3-6-18-11-14/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,14,22,23,3,5,16,10,20,11,19,7,17,15,21,24,9,4,8,18/rA:24nCCCNCCCONCCCCCNCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0164
Area:557.141
Solvation:-3.91211
Coulombic:-52.636
Bond Count [?]
All:25
Single:17
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:327.381
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.21
LogP (Chemaxon):-0.65

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Descriptor Annotations

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